Ar fcc LJ_Smoothed_Bernardes_1958_Ar__MO_764178710049_001 5.292160376906395
Warning: Maximum number of iterations has been exceeded.

C11 =     3.716031 +/-     0.007336 GPa
C12 =     2.135846 +/-     0.005187 GPa
C44 =     2.139243 +/-     0.001834 GPa
B   =     2.662574 +/-     0.004235 GPa